Shu-Kun Lin, Qiuzi Cong
Jul 1, 1987
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Influential Citations
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Citations
Journal
Journal of Molecular Structure
Abstract
Abstract 2-Methyl-3-carboethoxyquinoxaline 1,4-dioxide (MCQO) was prepared and single crystals were grown out of the reaction mixture. The structure of MCQO was established by single-crystal X-ray crystallography using a direct method. The crystals are triclinic, space group P 1 , with a = 6.928(1), b = 8.109(1), c = 10.552(1) A, α = 83.445(8), β = 85.861(10), γ = 79.168 (8)°, V = 577.7 A3, Z = 2 and Dc = 1.428 g cm−3. The structure was refined to R = 0.059 for 1454 reflections. The planar geometry of the parent quinoxaline ring is consistent with the aromaticity of the condensed heterocyclic system in the compound. The average NO bond length is 1.297(5) A, indicating a certain double-bond character. The X-ray analysis corroborates IR, NMR, and ESR spectroscopic evidence for the structure of this type of heteroaromatic N-oxides.